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Title:

NO reactivity on MgO surface defects: Low-coordinated ions, oxygen vacancies, and nickel impurities

Author(s):
Di Valentin, Cristiana; Pacchioni, Gianfranco; Heiz, Ulrich; Giamello, Elio; Dominguez-Ariza, David; Illas, Francesc; Bredow, Thomas
Abstract:
The interaction and reactivity of nitric oxide with the defective surface of polycryst. MgO and MgO(100) thin films grown on Mo(100) has been studied exptl. and theor. ESR (EPR), thermal desorption (TDS) and Fourier transform IR (FTIR) spectroscopies have been used for investigation. Ab initio DFT/B3LYP cluster model calcns. have been performed to understand structure, properties and mechanism of reactions. Particular attention has been paid to the interaction of NO to Ni impurities present in a...     »
Congress title:
Dipartimento di Scienza dei Materiali, Universita Milano-Bicocca, Milan, Italy. Conference; Meeting Abstract
Journal title:
Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27, 2003
Year:
2003
Pages contribution:
COLL-401
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